2024-04-20_00000066
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ligand
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7H4N
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z19733482 (A71EV2A-x0922);
X-ray diffraction 1.50Å
Protein #1
150 residues (93% resolved)
Raw Sequence ...
QEQTGGSGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
QEQTGGSGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1AND
InChI=1S/C11H15NO2/c1-9-6-4-5-7-10(9)14-8-11(13)12(2)3/h4-7H,8H2,1-3H3
InChI=1S/C11H15NO2/c1-9-6-4-5-7-10(9)14-8-11(13)12(2)3/h4-7H,8H2,1-3H3
SMILES: Cc1ccccc1OCC(=O)N(C)C
Cc1ccccc1OCC(=O)N(C)C
Non polymer #3
DMS
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
SMILES: CS(=O)C
CS(=O)C
Non polymer #4
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
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Model
Reference
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